N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide

C17H16N2O2S — CID 17430695

IUPACN-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)C1CCOCC1
InChIInChI=1S/C17H16N2O2S/c20-16(12-7-9-21-10-8-12)19-17-18-15-13-4-2-1-3-11(13)5-6-14(15)22-17/h1-6,12H,7-10H2,(H,18,19,20)
InChIKeyIEGGFITWGZSMFX-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.81
Rot. Bonds2

About N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide

N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide (PubChem CID 17430695) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide
PubChem CID17430695
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)C1CCOCC1
InChIInChI=1S/C17H16N2O2S/c20-16(12-7-9-21-10-8-12)19-17-18-15-13-4-2-1-3-11(13)5-6-14(15)22-17/h1-6,12H,7-10H2,(H,18,19,20)
InChIKeyIEGGFITWGZSMFX-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31490504
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831696
N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630434
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide
CID 46820966
N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597297
N-benzo[e][1,3]benzothiazol-2-yl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436210
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828858
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829102

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide (CID 17430695) is N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide is O=C(Nc1nc2c(ccc3ccccc32)s1)C1CCOCC1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide?
The InChIKey is IEGGFITWGZSMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16(12-7-9-21-10-8-12)19-17-18-15-13-4-2-1-3-11(13)5-6-14(15)22-17/h1-6,12H,7-10H2,(H,18,19,20).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide?
N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide is sourced from PubChem (CID 17430695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).